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85721-27-3

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Basic Information
CAS No.: 85721-27-3
Name: 2,3-Dihexyloxirane
Article Data: 10
Molecular Structure:
Molecular Structure of 85721-27-3 (2,3-Dihexyloxirane)
Formula: C14H28O
Molecular Weight: 212.376
Synonyms: 2,3-dihexyloxirane;Einecs 288-439-6
EINECS: 288-439-6
Density: 0.844 g/cm3
Boiling Point: 270.2 °C at 760 mmHg
Flash Point: 102.2 °C
PSA: 12.53000
LogP: 4.69460
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Specification

The 2, 3-Dihexyloxirane has CAS registry number 85721-27-3. Its EINECS registry number is 288-439-6. This chemical's molecular formula is C14H28O and molecular weight is 212.37152. What's more, its IUPAC name is 2, 3-Dihexyloxirane.

Physical properties about 2, 3-Dihexyloxirane are: (1)ACD/LogP: 6.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.12; (4)ACD/LogD (pH 7.4): 6.12; (5)ACD/BCF (pH 5.5): 26223.9; (6)ACD/BCF (pH 7.4): 26223.9; (7)ACD/KOC (pH 5.5): 50639.42; (8)ACD/KOC (pH 7.4): 50639.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 66.54 cm3; (15)Molar Volume: 251.4 cm3; (16)Surface Tension: 30.5 dyne/cm; (17)Density: 0.844 g/cm3; (18)Flash Point: 102.2 °C; (19)Enthalpy of Vaporization: 48.79 kJ/mol; (20)Boiling Point: 270.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0115 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C(C1CCCCCC)CCCCCC
(2) InChI: InChI=1/C14H28O/c1-3-5-7-9-11-13-14(15-13)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
(3) InChIKey: NAPIHVDJYKONON-UHFFFAOYAP